Molecule

ID:23464

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂O₂
Molecular Mass
346.85112
Exact Mass
346.14480567
Charge
0
InChI
InChI=1S/C19H23ClN2O2/c1-4-19(2,3)13-5-8-15(9-6-13)24-12-18(23)22-14-7-10-16(20)17(21)11-14/h5-11H,4,12,21H2,1-3H3,(H,22,23)
InChIKey
TWKAZVOBUIMMNU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1ccc(c(c1)N)Cl)(C)C
Isomeric Smiles
c1(cc(NC(=O)COc2ccc(C(CC)(C)C)cc2)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
12.540963
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.4922924
LogD (pH = 7.4)
4.4925966
Log P
4.4926033
Molar Refractivity
99.6552
Polarizability
37.60955
Polar Surface Area
64.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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